N-[2-(chloromethyl)-2-ethylbutyl]-6-ethyl-2-methylpyrimidin-4-amine

C14H24ClN3 — CID 106252837

IUPACN-[2-(chloromethyl)-2-ethylbutyl]-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCC(CC)(CC)CCl)nc(C)n1
InChIInChI=1S/C14H24ClN3/c1-5-12-8-13(18-11(4)17-12)16-10-14(6-2,7-3)9-15/h8H,5-7,9-10H2,1-4H3,(H,16,17,18)
InChIKeyBNFPDGMPQAWVRR-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.80
Rot. Bonds7

About N-[2-(chloromethyl)-2-ethylbutyl]-6-ethyl-2-methylpyrimidin-4-amine

N-[2-(chloromethyl)-2-ethylbutyl]-6-ethyl-2-methylpyrimidin-4-amine (PubChem CID 106252837) has the molecular formula C14H24ClN3 and a molecular weight of 269.82 g/mol. Its IUPAC name is N-[2-(chloromethyl)-2-ethylbutyl]-6-ethyl-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(chloromethyl)-2-ethylbutyl]-6-ethyl-2-methylpyrimidin-4-amine
PubChem CID106252837
Molecular FormulaC14H24ClN3
Molecular Weight269.82 g/mol
Exact Mass269.17
IUPAC NameN-[2-(chloromethyl)-2-ethylbutyl]-6-ethyl-2-methylpyrimidin-4-amine
SMILESCCc1cc(NCC(CC)(CC)CCl)nc(C)n1
InChIInChI=1S/C14H24ClN3/c1-5-12-8-13(18-11(4)17-12)16-10-14(6-2,7-3)9-15/h8H,5-7,9-10H2,1-4H3,(H,16,17,18)
InChIKeyBNFPDGMPQAWVRR-UHFFFAOYSA-N
XLogP3.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-(chloromethyl)-2-ethylbutyl]-2,6-dimethylpyrimidin-4-amine
CID 106252969
N,6-diethyl-2-methylpyrimidin-4-amine
CID 62191281
N-(1-chloro-4,4-dimethylpentan-3-yl)-6-ethyl-2-methylpyrimidin-4-amine
CID 106354467
6-ethyl-2-methyl-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
CID 135201749
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133461543
N-[2,2-dimethyl-3-(oxan-4-yl)propyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 133472588
3-[(6-ethyl-2-methylpyrimidin-4-yl)amino]propane-1,2-diol
CID 66174808
3-N-(6-ethyl-2-methylpyrimidin-4-yl)-4,4-dimethylpentane-1,3-diamine
CID 106357883
N-[(1-aminocyclobutyl)methyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 103353838
2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3,3-dimethylbutane-1,2-diamine
CID 114208177
2-N-(6-ethyl-2-methylpyrimidin-4-yl)-2,3-dimethylbutane-1,2-diamine
CID 113284109
6-ethyl-2-methyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 65418225

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)-2-ethylbutyl]-6-ethyl-2-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(chloromethyl)-2-ethylbutyl]-6-ethyl-2-methylpyrimidin-4-amine (CID 106252837) is N-[2-(chloromethyl)-2-ethylbutyl]-6-ethyl-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(chloromethyl)-2-ethylbutyl]-6-ethyl-2-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(chloromethyl)-2-ethylbutyl]-6-ethyl-2-methylpyrimidin-4-amine is CCc1cc(NCC(CC)(CC)CCl)nc(C)n1.
What is the InChIKey of N-[2-(chloromethyl)-2-ethylbutyl]-6-ethyl-2-methylpyrimidin-4-amine?
The InChIKey is BNFPDGMPQAWVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3/c1-5-12-8-13(18-11(4)17-12)16-10-14(6-2,7-3)9-15/h8H,5-7,9-10H2,1-4H3,(H,16,17,18).
What are the key properties of N-[2-(chloromethyl)-2-ethylbutyl]-6-ethyl-2-methylpyrimidin-4-amine?
N-[2-(chloromethyl)-2-ethylbutyl]-6-ethyl-2-methylpyrimidin-4-amine has a molecular weight of 269.82 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)-2-ethylbutyl]-6-ethyl-2-methylpyrimidin-4-amine is sourced from PubChem (CID 106252837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).